6-Fluoro-2-(trifluoromethyl)quinolin-4(1H)-one

HCID 285540CAS 31009-34-4

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Basic information

Standard SMILES: O=c1cc(C(F)(F)F)[nH]c2ccc(F)cc12
InChIKey: FNDABQIPEQHTNR-UHFFFAOYSA-N
Molecular formula: C10H5F4NO
Average molar mass: 231.148 g/mol
Monoisotopic mass: 231.03072666

Names & identifiers

Preferred name: 6-Fluoro-2-(trifluoromethyl)quinolin-4(1H)-one
IUPAC: 6-Fluoro-2-(trifluoromethyl)quinolin-4(1H)-one
English name: 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline
Molecular formula: C10H5F4NO
Molecular weight: 231.15

Names & synonyms

BUTTPARK 37\04-036-fluoro-2-(trifluoromethyl)-4-quinolone6-Fluoro-2-(trifluoromethyl)quinolin-4-ol4-Quinolinol, 6-fluoro-2-(trifluoromethyl)-6-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one6-Fluoro-2-(trifluoromethyl)quinolin-4(1h)-one6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline97%6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline 97%

Database identifiers

CAS: 31009-34-4
PubChem CID: 285540
DTXSID: DTXSID80301345
ChEMBL: CHEMBL3727777
EC Number: 109-491-7
Nikkaji: J1.248.649I

Properties

Physicochemical properties

Melting point: 259 · 259-263°C
Boiling point: 302.9 · 302.9±37.0 °C(Predicted)
Density: 1.511 · 1.511±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 6.4 · 6.40±0.40(Predicted)
form: solid
Appearance: White to off-white Solid
InChI: 1S/C10H5F4NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-4H,(H,15,16)
InChIKey: FNDABQIPEQHTNR-UHFFFAOYSA-N
SMILES: Oc1cc(nc2ccc(F)cc12)C(F)(F)F
CAS DataBase Reference: 31009 · 31009-34-4(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 301 · P301+P310
Hazard Codes: Xi,T
Risk Statements: 36 · 36/37/38-25
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 3 · WGK 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
HS Code: 29334900 · 29334900
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 29334900
risk_code: 36/37/38-25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P301+P310

Chemistry & industry

Applications

Uses6-Fluoro--4-hydroxy-2-(trifluoromethyl)quinoline

Upstream & downstream products

Upstream raw materials

Downstream products

4-Bromo-6-fluoro-2-(trifluoromethyl)quinoline

Suppliers41 total

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

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